2-{[2-(3-methoxyphenoxy)ethyl]amino}ethan-1-ol

• ChemBase ID: 311187
• Molecular Formular: C11H17NO3
• Molecular Mass: 211.25758
• Monoisotopic Mass: 211.12084341
• SMILES: c1c(OC)cccc1OCCNCCO
• Canonical SMILES: OCCNCCOc1cccc(c1)OC
• InChI: InChI=1S/C11H17NO3/c1-14-10-3-2-4-11(9-10)15-8-6-12-5-7-13/h2-4,9,12-13H,5-8H2,1H3
• InChIKey: YAYIYTVZKWGWJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[2-(3-methoxyphenoxy)ethyl]amino}ethan-1-ol
• IUPAC Traditional name: 2-{[2-(3-methoxyphenoxy)ethyl]amino}ethanol
• Synonyms: 2-{[2-(3-methoxyphenoxy)ethyl]amino}ethanol

Database IDs

• CAS Number: 420104-03-6
• MDL Number: MFCD01471350

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.4420974
• LogD (pH = 7.4): -0.98236436
• Log P: 0.60339785
• Molar Refractivity: 58.0011 cm^3
• Polarizability: 23.035278 Å^3
• Polar Surface Area: 50.72 Å^2